4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)azepan-4-ol

C14H20N2O — CID 103982975

IUPAC4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)azepan-4-ol
SMILESOC1(C2CCc3cccnc32)CCCNCC1
InChIInChI=1S/C14H20N2O/c17-14(6-2-8-15-10-7-14)12-5-4-11-3-1-9-16-13(11)12/h1,3,9,12,15,17H,2,4-8,10H2
InChIKeySFLBDUUOLUASSR-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.62
Rot. Bonds1

About 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)azepan-4-ol

4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)azepan-4-ol (PubChem CID 103982975) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)azepan-4-ol.

Molecular Properties

Compound Name4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)azepan-4-ol
PubChem CID103982975
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)azepan-4-ol
SMILESOC1(C2CCc3cccnc32)CCCNCC1
InChIInChI=1S/C14H20N2O/c17-14(6-2-8-15-10-7-14)12-5-4-11-3-1-9-16-13(11)12/h1,3,9,12,15,17H,2,4-8,10H2
InChIKeySFLBDUUOLUASSR-UHFFFAOYSA-N
XLogP1.62
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cycloheptan-1-ol
CID 79739276
1-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-ol
CID 79739365
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-3-methylcyclohexan-1-ol
CID 79739872
8-(4-fluoroazepan-4-yl)-5,6,7,8-tetrahydroquinoline
CID 103984069
7-(2-methylpyrrolidin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79748241
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-methylpyrrolidin-3-ol
CID 79740627
4-propan-2-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)cycloheptan-1-ol
CID 79723752
4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-propylpiperidin-4-ol
CID 79739783
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethylcyclohexan-1-ol
CID 79746150
(8S)-5,6,7,8-tetrahydroquinolin-8-ol
CID 11480532
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4,4-dimethylcyclohexan-1-amine
CID 79745639
8-(2-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydroquinoline
CID 79748728

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)azepan-4-ol?
The IUPAC name of 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)azepan-4-ol (CID 103982975) is 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)azepan-4-ol.
What is the SMILES notation for 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)azepan-4-ol?
The canonical SMILES for 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)azepan-4-ol is OC1(C2CCc3cccnc32)CCCNCC1.
What is the InChIKey of 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)azepan-4-ol?
The InChIKey is SFLBDUUOLUASSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c17-14(6-2-8-15-10-7-14)12-5-4-11-3-1-9-16-13(11)12/h1,3,9,12,15,17H,2,4-8,10H2.
What are the key properties of 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)azepan-4-ol?
4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)azepan-4-ol has a molecular weight of 232.33 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)azepan-4-ol is sourced from PubChem (CID 103982975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).